D468-0238 Screening compound: N-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylbutanamide

D468-0238 Screening compound: N-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylbutanamide
D468-0238 Screening compound: N-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D468-0238
N-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylbutanamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D468-0238

Molecular Formula

C13H14ClN3O2 (C13 H14 ClN3 O2)

Compound Name

N-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylbutanamide

IUPAC name

N-[5-(4-chlorophenyl)-124-oxadiazol-3-yl]-3-methylbutanamide

SMILES

CC(C)CC(Nc1noc(-c(cc2)ccc2Cl)n1)=O

InChI

InChI=1S/C13H14ClN3O2/c1-8(2)7-11(18)15-13-16-12(19-17-13)9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3,(H,15,17,18)

InChI Key

WZSLWQRXCMVDAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18076603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.73

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.703

Distribution Coefficient, logD

3.703

Water Solubility, LogSw

-4.29

Polar Surface Area

56.199

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

-5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

D468-0238 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D468-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D468-0238?
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What is the minimum amount of D468-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D468-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D468-0238
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D468-0238 available by request